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1.
J Biomol Struct Dyn ; 42(7): 3641-3658, 2024 Apr.
Article En | MEDLINE | ID: mdl-37222664

Influenza viruses are the most common cause of serious respiratory illnesses worldwide and are responsible for a significant number of annual fatalities. Therefore, it is crucial to look for new immunogenic sites that might trigger an effective immune response. In the present study, bioinformatics tools were used to design mRNA and multiepitope-based vaccines against H5N1 and H7N9 subtypes of avian influenza viruses. Several Immunoinformatic tools were employed to extrapolate T and B lymphocyte epitopes of HA and NA proteins of both subtypes. The molecular docking approach was used to dock the selected HTL and CTL epitopes with the corresponding MHC molecules. Eight (8) CTL, four (4) HTL, and Six (6) linear B cell epitopes were chosen for the structural arrangement of mRNA and of peptide-based prophylactic vaccine designs. Different physicochemical characteristics of the selected epitopes fitted with suitable linkers were analyzed. High antigenic, non-toxic, and non-allergenic features of the designed vaccines were noted at a neutral physiological pH. Codon optimization tool was used to check the GC content and CAI value of constructed MEVC-Flu vaccine, which were recorded to be 50.42% and 0.97 respectively. the GC content and CAI value verify the stable expression of vaccine in pET28a + vector. In-silico immunological simulation the MEVC-Flu vaccine construct revealed a high level of immune responses. The molecular dynamics simulation and docking results confirmed the stable interaction of TLR-8 and MEVC-Flu vaccine. Based on these parameters, vaccine constructs can be regarded as an optimistic choice against H5N1 and H7N9 strains of the influenza virus. Further experimental testing of these prophylactic vaccine designs against pathogenic avian influenza strains may clarify their safety and efficacy.Communicated by Ramaswamy H. Sarma.


Influenza A Virus, H5N1 Subtype , Influenza A Virus, H7N9 Subtype , Influenza Vaccines , Influenza in Birds , Animals , Influenza in Birds/prevention & control , Influenza A Virus, H7N9 Subtype/genetics , Molecular Docking Simulation , RNA, Messenger/genetics , Immunoinformatics , Epitopes, B-Lymphocyte , Vaccines, Subunit , Epitopes, T-Lymphocyte , Computational Biology
2.
Microb Pathog ; 182: 106271, 2023 Sep.
Article En | MEDLINE | ID: mdl-37517745

Epigenetics, a field of study focused on cellular gene regulation independent of DNA sequence alterations, encompasses DNA methylation, histone modification and microRNA modification. Epigenetics processes play a pivotal role in governing the life cycles of viruses, enabling their transmission, persistence, and maintenance with in host organisms. This review examines the epigenetics regulation of diverse virus including orthomoxyviruses, coronavirus, retroviridae, mononegavirales, and poxviruses among others. The investigation encompasses ten representative viruses from these families. Detailed exploration of the epigenetic mechanisms underlying each virus type, involving miRNA modification, histone modification and DNA methylation, sheds light on the intricate and multifaceted epigenetic interplay between viruses and their hosts. Furthermore, this review investigates the influence of these epigenetic processes on infection cycles, emphasizing the utilization of epigenetics by viruses such as Epstein-Barr virus and Human immunodeficiency virus (HIV) to regulate gene expression during chronic or latent infections, control latency, and transition to lytic infection. Finally, the paper explores the novel treatments possibilities stemming from this epigenetic understanding.


Epstein-Barr Virus Infections , Viruses , Humans , Herpesvirus 4, Human/genetics , Host Microbial Interactions , Epigenesis, Genetic , Viruses/genetics
3.
Infect Genet Evol ; 93: 104950, 2021 09.
Article En | MEDLINE | ID: mdl-34089911

The Hantaan virus belongs to Bunyaviridae family, an emerging virus that is responsible for hemorrhagic fevers. The virus is distributed worldwide and as of now there is no successful antiviral drug or vaccine developed to protect against the viral infections. Immunization or vaccination is an alternative approach for the protection against viral infections. A cost effective and thermodynamically stable vaccine should be developed to prevent a future possible pandemic. In this study a vaccine candidate was designed against the Hantaan virus, multiple immunoinformatics and reverse vaccinology tools were utilized for the prediction of both B and T cell epitopes for Nuceloprotein, RNA dependent RNA polymerase L and Envelope protein of the Hantaan virus. The individual epitopes were modeled for docking with respective HLAs and a multi-epitopes subunit vaccine candidate was constructued by joining together carefully evaluated B and T cell epitopes with suitable linkers. The vaccine model was evaluated for several physiochameical parameters i.e. Molecular weight, instability index and aliphatic index among the others, followed by 3D modeling of the vaccine for docking with TLR-4. Based on previous studies, Human beta-defensin was liked at the N-terminus of the vaccine sequence as an adjuvant to enhance immunogenicity. The docked complexes of vaccine-TLR-4 were then evaluated for residual interactions. Moreover, to validate final vaccine construct, immune simulations was carried out by C-IMMSIM server. A natural immune reponse was predicted by the immune simulation analysis. In-silico cloning was carried out using E. coli as host resulting in 0.93 CAI value, which suggests that the vaccine construct will attain maximal expression in E. coli host. The vaccine designed in this study needs experimental verification to confirm the immunogenicity and efficacy of the vaccine and ultimately used against Hantaan virus associated infections.


Drug Design , Epitopes, B-Lymphocyte/immunology , Epitopes, T-Lymphocyte/immunology , Hantaan virus/immunology , Vaccinology , Viral Vaccines/immunology , Computational Biology , Vaccines, Subunit/immunology
4.
J Environ Public Health ; 2021: 5524098, 2021.
Article En | MEDLINE | ID: mdl-34054974

Air pollution (AP) is one of the leading causes of health risks because it causes widespread morbidity and mortality every year. Its impact on the environment includes acid rain and decreased visibility, but more importantly, it also has an impact on human health. The rise of COVID-19 demonstrates the cost of failing to manage AP. COVID-19 can be spread through the air, and atmospheric particulate matters (PMs) can create a good atmosphere for the long-distance spread of the virus. Moreover, these PMs can cause lung cell inflammation, thereby increasing sensitivity and the severity of symptoms in COVID-19 patients. In this study, we emphasized the potential role of PMs in the spread of COVID-19. The relationship among COVID-19, PMs, and angiotensin-converting enzyme 2 (ACE2) (receptor involved in virus entry into lung cells and inflammation) was also summarized.


Air Pollutants/analysis , Angiotensin-Converting Enzyme 2/metabolism , COVID-19/transmission , Particulate Matter/analysis , Air Pollutants/toxicity , COVID-19/epidemiology , COVID-19/immunology , COVID-19/pathology , Humans , Inflammation , Lung/drug effects , Lung/immunology , Lung/metabolism , Lung/pathology , Particulate Matter/toxicity , SARS-CoV-2/physiology
5.
Curr Res Toxicol ; 2: 159-168, 2021.
Article En | MEDLINE | ID: mdl-33688633

The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) emerged in Wuhan city of China in late December 2019 and identified as a novel coronavirus disease 2019 (COVID-19). On January 30, the World Health Organization (WHO) declared the coronavirus outbreak a global public health emergency. The rapid spread of the pathogen across the communities shock the entire population. As no existing therapy were available during the pandemic. Health professionals recommended frequent washing of hands with soap and alcohol-based sanitizers. Disinfectants were extensively sprayed to minimize the possibility of getting COVID-19. Despite the potential benefits of these germicidal agents against COVID-19. Alcohol-based hand sanitizers lead to dry skin, infection, and alcohol poisoning. Children are considered more prone to alcohol poisoning and other major health concern. Precautionary measures should be ensured to protect the community from the possible risk associated with disinfectants.

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